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7DKO
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BU of 7dko by Molmil
De novo design protein AM2M
分子名称: de novo designed protein AM2M
著者Bin, H.
登録日2020-11-25
公開日2021-12-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
8FRE
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BU of 8fre by Molmil
Designed loop protein RBL4
分子名称: 1,2-ETHANEDIOL, RBL4
著者Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
登録日2023-01-06
公開日2024-04-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 2024
8FRF
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BU of 8frf by Molmil
Homodimeric designed loop protein RBL7_C2_3
分子名称: MALONATE ION, RBL7_C2_3
著者Jude, K.M, Jiang, H, Baker, D, Garcia, K.C.
登録日2023-01-06
公開日2024-04-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献De novo design of buttressed loops for sculpting protein functions.
Nat.Chem.Biol., 2024
7DGU
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BU of 7dgu by Molmil
De novo designed protein H4A1R
分子名称: de novo designed protein H4A1R
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-11-24
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DKK
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BU of 7dkk by Molmil
De novo design protein XM2H
分子名称: De novo design protein XM2H
著者Bin, H.
登録日2020-11-24
公開日2021-12-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7DGY
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BU of 7dgy by Molmil
De novo designed protein H4C2R
分子名称: de novo designed protein H4C2R
著者Xu, Y, Liao, S, Chen, Q, Liu, H.
登録日2020-11-12
公開日2021-12-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
7RMX
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BU of 7rmx by Molmil
Structure of De Novo designed tunable symmetric protein pockets
分子名称: Tunable symmetric protein, D_3_212
著者Bera, A.K, Hicks, D.R, Kang, A, Sankaran, B, Baker, D.
登録日2021-07-28
公開日2022-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献De novo design of protein homodimers containing tunable symmetric protein pockets.
Proc.Natl.Acad.Sci.USA, 119, 2022
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
7UPQ
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BU of 7upq by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_1arm_A21/B/C
分子名称: DHT03 protein A, DHT03 protein B, DHT03 protein C
著者Chang, Y, Bhabha, G, Ekiert, D.C.
登録日2022-04-16
公開日2022-12-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7UPO
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BU of 7upo by Molmil
Crystal structure of designed heterotrimeric assembly DHT03
分子名称: DHT03 protein A, DHT03 protein B, DHT03 protein C
著者Chang, Y, Bhabha, G, Ekiert, D.C.
登録日2022-04-16
公開日2022-12-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7UPP
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BU of 7upp by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_2arm_A21/B21/C long
分子名称: DHT03 protein A, DHT03 protein B, DHT03 protein C
著者Chang, Y, Bhabha, G, Ekiert, D.C.
登録日2022-04-16
公開日2022-12-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7L33
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BU of 7l33 by Molmil
X-ray Structure of a Cu-Bound De Novo Designed Peptide Trimer
分子名称: COPPER (II) ION, Cu-3SCC
著者Chakraborty, S, Wawrzak, Z, Prasad, P, Mitra, S, Prakash, D.
登録日2020-12-17
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献De Novo Design of a Self-Assembled Artificial Copper Peptide that Activates and Reduces Peroxide
Acs Catalysis, 11, 2021
7LMX
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BU of 7lmx by Molmil
A HIGHLY SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6 WITH A DISULFIDE
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-06
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
7LMV
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BU of 7lmv by Molmil
SPECIFIC INHIBITOR OF INTEGRIN ALPHA-V BETA-6
分子名称: Integrin inhibitor
著者Dong, X, Bera, A.K, Roy, A, Shi, L, Springer, T.A, Baker, D.
登録日2021-02-05
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
6MSQ
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BU of 6msq by Molmil
Crystal structure of pRO-2.3
分子名称: pRO-2.3
著者Boyken, S.E, Sankaran, B, Bick, M.J, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
6MSR
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BU of 6msr by Molmil
Crystal structure of pRO-2.5
分子名称: pRO-2.5
著者Bick, M.J, Sankaran, B, Boyken, S.E, Baker, D.
登録日2018-10-17
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献De novo design of tunable, pH-driven conformational changes.
Science, 364, 2019
7QDK
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BU of 7qdk by Molmil
A trimeric de novo coiled-coil assembly: CC-TypeN-LaLd
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CC-TypeN-LaLd, GLYCEROL, ...
著者Kumar, P, Paterson, N.G, Woolfson, D.N.
登録日2021-11-27
公開日2022-04-27
最終更新日2022-07-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献De novo design of discrete, stable 3 10 -helix peptide assemblies.
Nature, 607, 2022
7UDJ
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BU of 7udj by Molmil
Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide
分子名称: 4xPAW peptide, De novo designed helical repeat protein RPB_PEW3_R4
著者Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D.
登録日2022-03-20
公開日2023-03-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7M0Q
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BU of 7m0q by Molmil
Crystal structure of deep network hallucinated protein 0738_mod
分子名称: Network hallucinated protein 0738_mod
著者Pellock, S.J, Bera, A.K, Anishchenko, I, Baker, D.
登録日2021-03-11
公開日2021-12-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo protein design by deep network hallucination.
Nature, 600, 2021
8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
2KI0
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BU of 2ki0 by Molmil
NMR Structure of a de novo designed beta alpha beta
分子名称: DS119
著者Liang, H, Chen, H, Fan, K, Wei, P, Guo, X, Jin, C, Zeng, C, Tang, C, Lai, L.
登録日2009-04-18
公開日2009-10-20
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献De novo design of a beta alpha beta motif.
Angew.Chem.Int.Ed.Engl., 48, 2009
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
5G37
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BU of 5g37 by Molmil
MR structure of the binary mosquito larvicide BinAB at pH 5
分子名称: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
著者Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
登録日2016-04-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
6N80
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BU of 6n80 by Molmil
S. aureus ClpP bound to anti-4a
分子名称: ATP-dependent Clp protease proteolytic subunit, N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide
著者Lee, R.E, Griffith, E.C.
登録日2018-11-28
公開日2019-06-26
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献De Novo Design of Boron-Based Peptidomimetics as Potent Inhibitors of Human ClpP in the Presence of Human ClpX.
J.Med.Chem., 62, 2019

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